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Energy transitions

we consider the vertical transition energies, E , and the relaxed transition energies, E° °. These are plotted as a function of inverse chain length in Fig. 10.3(a). We see that the vertical energy of the 2M+ state lies approximately 0.3 eV above that of the state in the long chain limit. The relaxation [Pg.174]

Vertical and relaxed transitions are indicated by dashed and solid lines and open and solid symbols, respectively. Experimental values of the relaxed l B (x) and (+) state energies for polyenes in hydrocarbon solution (Kohler 1988). (b) Calculated transition energies for the l BF state (squares) and charge gap (circles). Reprinted with permission from W. Barford, R. J. Bursill, and M. Yu Lavrentiev, Phys. Rev. B 63, 195108, 2001. Copyright 2001 by the American Physical Society. [Pg.175]

the strong relaxation of the 2 71+ state is associated with a large distortion from the ground state structure. [Pg.175]

However, while the calculated values for short chains fit the Kohler empirical expressions (eqns (10.1) and (10.2)) rather well, there are significant deviations from them for long chains, and as a consequence the calculated values also deviate from the thin film experimental values for the and states described [Pg.176]


Vossmeyer T et al 1994 CdS nanoolusters synthesis, oharaoterization, size dependent osoillator strength, temperature shift of the exitonio transition energy and reversible absorbanoe shift J. Phys. Chem. 98 7665... [Pg.2915]

The connection between transition energy AEand fretpiency v is given by Einstein s classic formula... [Pg.336]

Valenee electrons are repelled by other eleetrons in valenee orbitals of the same carbon atom, a one-center, two-eleetron repulsion. These interactions are often parameterized with speetroseopic transition energies. [Pg.280]

Here P°g,v is a eonstant (having energy units) eharaeteristie of the bonding interaetion between X i and Xv its value is usually determined by foreing the moleeular orbital energies obtained from sueh a qualitative orbital treatment to yield experimentally eorreet ionization potentials, bond dissoeiation energies, or eleetronie transition energies. [Pg.197]

TABLE 1-19. ULTRAVIOLET ABSORPTION SPECTRA OF THIAZOLIUM TOSYLATES IN EtOH (186) COMPARED WITH CALCULATED TRANSITION ENERGIES (187)... [Pg.51]

Because both spins are in the transverse plane and transition energy levels are matched, energy can be transferred from the protons to the nuclei. In this manner the rate of repolarization is controlled by rather than by Because the protons can interchange energy by spin-diffusion only a single-proton exists and its value is usually on the order of 1 s. As a result the preparation delay can be reduced from 10 s to about 5 s increasing the number of transients, which can be acquired by two or more orders of magnitude. [Pg.409]

A publication by Elguero et al. 66BSF3744) discusses UV spectra of 170 pyrazoles determined in 95% ethanol. Rigorously, the UV substituent effects must be discussed using wavenumbers, since only wavenumbers (in cm ) are proportional to transition energies, AE. However, in order to have more familiar values, data on l-(2,4-dinitrophenyl)pyrazoles <66BSF3744) have been transformed from wavenumbers to wavelengths (in nm) (Table 20). [Pg.198]

Absorptions in the UV spectra of thiiranes are observed around 260 nm ( - other transitions are reported in the vacuum UV spectrum, and the calculated lowest singlet transition energies correspond to n - oxirane groups behave as electron withdrawing substituents when attached to aromatic rings as indicated by the UV spectra of 2-arylthiiranes. [Pg.136]

Although there have been few data collected, postshock temperatures are very sensitive to the models which specify y and its volume dependence, in the case of the Gruneisen equation of state (Boslough, 1988 Raikes and Ahrens, 1979a Raikes and Ahrens, 1979b). In contrast, the absolute values of shock temperatures are sensitive to the phase transition energy Ejp of Eq. (4.55), whereas the slope of the versus pressure curve is sensitive to the specific heat (see, e.g.. Fig. 4.28). [Pg.105]

Z values are obtained from Eq. (8-76) for solvents having Z in the approximate range 63-86. In more polar solvents the CT band is obscured by the pyridinium ion ring absorption, and in nonpolar solvents l-ethyl-4-carbomethoxy-pyridinium iodide is insoluble. By using the more soluble pyridine-1-oxide as a secondary standard and obtaining an empirical equation between Z and the transition energy for pyridine-1-oxide, it is possible to measure the Z values of nonpolar solvents. The value for water must be estimated indirectly from correlations with other quantities. Table 8-15 gives Z values for numerous solvents. [Pg.437]

Another solvatochromic polarity measure, (30), is the transition energy for compound 8, which is 2,6-diphenyl-4-(2,4,6-triphenylpyridinio)phenolate, also referred to as Dimroth-Reichardt s betaine. [Pg.437]

Other solvatochromic probes have been proposed. Mukerjee et al. used nitrox-ides for this purpose, finding that their transition energies correlate linearly with Z and t (30). Brooker et al. prepared a polar merocyanine that shows a blue shift... [Pg.437]

Calculations have been made, first by a semiempirical treatment due to Parisier and Parr, and to Pople, and then by a simplified version of this method, of the transition energies and intensities of the 77— 77 bands in pyridopyrimidines (cf. Table I). [Pg.183]


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Activation energies, glass transition

Activation energies, glass transition polystyrene

Activation energy for the glass transition

Activation energy polymer transitions

Activation energy relation with Transition-state theory

Activation energy soft segment glass transition

Activation energy transition-state complex

Activation energy transitions

Activation energy, apparent transition state theory

Anchoring energy transition

Anti-Stokes transitions, energy level

Application of linear free energy relationships to elucidate E2 transition state structure

Atomic spectroscopy energy transitions

Auger transitions, energies

Benzene charge transfer transition energy

Benzene transition energies

Biphenyl transition energies

Bond dissociation energies , transition metal

Bond energies transition-metal—hydrogen

Canonical variational transition-state theory . potential energy

Charge-transfer absorption band transition energy corresponding

Charge-transfer transition energy

Cohesive energy of transition metals

Configuration energy transition metals

Configuration interaction electronic transition energies

Coulomb energy transition metal complexes

Defect level spectroscopy - optical transition energies

Defects optical transition energies

Defects transition energies

Describing a Reaction Energy Diagrams and Transition States

Dissociation energies, transition metal

Dissociation energies, transition metal metals

Distribution transition energy

Donor transition energy

Effects of the Surroundings on Molecular Transition Energies

Electronic Excitation Energies and Transition Moments

Electronic energies, transition state

Electronic energy levels and transitions in transition-metal complexes

Electronic transition energies, matrix

Electronic transition energy

Electronic transitions, between quantized energy levels

Electrons, energy transitions among

Energies and Transition States

Energies of Phase Transitions

Energies of transitions

Energy Exchange and Transition-State Theory

Energy Levels and Transitions in an AX System

Energy Rayleigh transitions

Energy Stokes transitions

Energy Transitions and Mixed States

Energy Variation Under Transition from Bulk to Clusters

Energy anti-Stokes transitions

Energy balance transition time

Energy excited transition

Energy gap law for radiationless transitions

Energy level diagrams and crystal field spectra of transition metal ions

Energy levels and radiative transitions

Energy levels and transitions

Energy levels electronic transitions

Energy levels of transition states

Energy levels transition elements

Energy levels, transitions

Energy levels, transitions actinides

Energy levels, transitions glasses

Energy magnetic dipole transition

Energy of electronic transitions

Energy of intermediates and transition state

Energy of optical transition

Energy of transition states

Energy optical transition

Energy pattern, charge-transfer transitions

Energy sources inverse temperature transitions

Energy states rules governing transition between

Energy states, transitions between

Energy transfer from transition metal ions

Energy transfer from transition metal ions elements

Energy transfer, nonadiabatic transition

Energy transition metal bonding

Energy transition moments

Energy transition probabilities

Energy transitions, electromagnetic

Energy, transition energies

Energy, transition energies

Exchange energy transition metals

Excitation energies transition metals

Excitation energy, charge-transfer transitions

Excited transition, energy density required

First ionization energy transition elements

Free Energies from Transition Path Sampling Simulations

Free energy in phase transition

Free energy of transition

Gamma transitions, recoil energy

Gibbs free energy equation, glass transition

Gibbs free energy equation, glass transition polymers

Gibbs free energy first-order transitions

Gibbs free energy glass transition temperature

Gibbs free energy profiles transition states

Glass transition temperature cohesive energy density

Glass transition temperature, potential energy

Glass-transition temperature ligand field stabilization energies

High-energy transition

Historical transitions of energy sources

Hydrocarbon activation transition-state energies

Inelastic transition probabilities transitional energy

Ionization energy transition elements

Kinetic energy phase-space transition states

Kinetic energy transition state theory

Laws transition states free energy

Light transitions between energy

Liquid-vapor phase transition molar Gibbs energy

Lorentzian distribution resonant transition energies

Low-energy LMCT transitions

Lowest energy transition state

Lowest-energy transition states, enamine

Mean transition energy

Minimum energy path transition state theory

Mossbauer spectroscopy transition energy

Nonradiative Transitions in Rare Earth Ions The Energy-Gap Law

Oligothiophenes transition energies

Order Parameter, Phase Transition, and Free Energies

Phase transitions Gibbs energy

Phase transitions free energy density

Phenol blue transition energy

Photochemical energy transition metals

Plasma density, transition energy

Poly transition energies

Polyacetylene transition energies

Polyene transition energy

Potential Energy Surface Molecular Structure, Transition States, and Reaction Paths

Potential energy diagram electronic transitions

Potential energy surface Quantum-mechanical transition

Potential energy surface generalized transition state

Potential energy surface methyl radical transition state

Potential energy surface transition path sampling

Potential energy surface transition rates

Potential energy surface transition states

Potential energy surface transition structures

Potential energy surfaces bifurcations, transition states

Potential energy surfaces variational transition state theory

Properties of the potential energy surface relevant to transition state theory

Radiationless transitions energies

Radiationless transitions energy transfer

Radioactive decay transition energy

Rare energy transitions, diagram

Rayleigh transitions, energy level

Recoil Energy Loss in Free Atoms and Thermal Broadening of Transition Lines

Relaxation Activation Energy of Polymers in the Glass Transition Region

Relaxation energy, charge-transfer transitions

Repulsion energy, charge-transfer transitions

Resonance energy transition states

Rotational transition energy

Roughening transition free energy

Silica transition energies

Solids energy band transitions

Spin-pairing transitions energies

Statistical thermodynamics transitional energy levels

Stokes, transitions energy level

Surface energy of transition metals

The Gibbs Energy and Phase Transitions

The energy transitions

Transition Fermi energy

Transition State Distortion Energy

Transition State Theory Free-Energy Diagrams

Transition Structures on a Potential Energy Surface

Transition adsorption energy

Transition atomic energies

Transition between energy levels

Transition binding energies

Transition bond energy

Transition cohesive energy

Transition element complexes energy-level diagrams

Transition energies and intensities

Transition energies, calculation

Transition energies, calculation system

Transition energies, calculations for

Transition energies, estimates

Transition energy density

Transition energy diagram

Transition energy frequency)

Transition energy influencing factors

Transition energy mixture

Transition energy pressure

Transition energy ranges

Transition energy ranges structure spectroscopy

Transition energy ratios

Transition energy relationship

Transition energy, charge-transfer transitions

Transition energy, effect

Transition energy, effect systems

Transition excitation energies

Transition free energy difference

Transition intensities energy accuracy

Transition metal carbonyls bonding energies

Transition metal carbonyls energies

Transition metal complex energy levels

Transition metal compounds lattice energies

Transition metal ions, potential energy surface

Transition metal nitrosyl complexes energy

Transition metal-lanthanides, energy

Transition metal-lanthanides, energy transfer

Transition metals bond energy

Transition metals cohesive energy

Transition metals energy bands

Transition metals energy levels

Transition metals ionization energy

Transition metals ligand field stabilization energy

Transition metals orbital energies

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Transition stabilization energies

Transition state HOMO-LUMO energies

Transition state activation energy

Transition state and activation energy

Transition state energies, hydrocarbon

Transition state energy barrier

Transition state energy dependence

Transition state energy diagram

Transition state energy level

Transition state of lowest energy

Transition state theory , development potential energy surfaces

Transition state theory activation energy

Transition state theory potential energy surface

Transition state theory zero-point energy

Transition state theory, configuration and potential energy

Transition state, symmetric energy dependence

Transition states and energy barriers

Transition states product energies

Transition-group complexes, forbidden transitions electronic energies

Transition-state energies

Transition-state energies for

Transition-state energies in bromination

Transition-state energy determination

Transition-state theory energy minimization

Transitions association free energy

Transitions between Electron Energy Bands in Solids

Transitions between Stationary State Energy Levels

Transitions between energy levels, origins

Transitions energy bands

Transitions energy transfer

Transitions triplet state energy correlation

Trends in Transition State Resonance Energies

Vibrational energy transitions

Vibrational spectroscopy energy level transitions

Zero point vibrational energy transition state theory

Zero-point energy variational transition state theory

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